3-(3-chloropropylsulfonylamino)-N-propylbenzamide

C13H19ClN2O3S — CID 60959205

IUPAC3-(3-chloropropylsulfonylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NS(=O)(=O)CCCCl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-2-8-15-13(17)11-5-3-6-12(10-11)16-20(18,19)9-4-7-14/h3,5-6,10,16H,2,4,7-9H2,1H3,(H,15,17)
InChIKeySRKHRGOPLKCSFF-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.20
Rot. Bonds8

About 3-(3-chloropropylsulfonylamino)-N-propylbenzamide

3-(3-chloropropylsulfonylamino)-N-propylbenzamide (PubChem CID 60959205) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-(3-chloropropylsulfonylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-(3-chloropropylsulfonylamino)-N-propylbenzamide
PubChem CID60959205
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-(3-chloropropylsulfonylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NS(=O)(=O)CCCCl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-2-8-15-13(17)11-5-3-6-12(10-11)16-20(18,19)9-4-7-14/h3,5-6,10,16H,2,4,7-9H2,1H3,(H,15,17)
InChIKeySRKHRGOPLKCSFF-UHFFFAOYSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
CID 116815540
N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
3-(ethylamino)-N-propylbenzamide
CID 43676038
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544395
3-(octylsulfonylamino)benzoic acid
CID 152726076
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropylsulfonylamino)-N-propylbenzamide?
The IUPAC name of 3-(3-chloropropylsulfonylamino)-N-propylbenzamide (CID 60959205) is 3-(3-chloropropylsulfonylamino)-N-propylbenzamide.
What is the SMILES notation for 3-(3-chloropropylsulfonylamino)-N-propylbenzamide?
The canonical SMILES for 3-(3-chloropropylsulfonylamino)-N-propylbenzamide is CCCNC(=O)c1cccc(NS(=O)(=O)CCCCl)c1.
What is the InChIKey of 3-(3-chloropropylsulfonylamino)-N-propylbenzamide?
The InChIKey is SRKHRGOPLKCSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-2-8-15-13(17)11-5-3-6-12(10-11)16-20(18,19)9-4-7-14/h3,5-6,10,16H,2,4,7-9H2,1H3,(H,15,17).
What are the key properties of 3-(3-chloropropylsulfonylamino)-N-propylbenzamide?
3-(3-chloropropylsulfonylamino)-N-propylbenzamide has a molecular weight of 318.83 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropylsulfonylamino)-N-propylbenzamide is sourced from PubChem (CID 60959205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).